(3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one

C23H24N2O — CID 58795409

IUPAC(3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=C\c2cc3c4c(c2)CCCN4CCC3)c2ccccc21
InChIInChI=1S/C23H24N2O/c1-2-25-21-10-4-3-9-19(21)20(23(25)26)15-16-13-17-7-5-11-24-12-6-8-18(14-16)22(17)24/h3-4,9-10,13-15H,2,5-8,11-12H2,1H3/b20-15-
InChIKeyLVDNRGMMCFUIRN-HKWRFOASSA-N
MW344.46 g/mol
LogP4.29
Rot. Bonds2

About (3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one

(3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one (PubChem CID 58795409) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is (3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one
PubChem CID58795409
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name(3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=C\c2cc3c4c(c2)CCCN4CCC3)c2ccccc21
InChIInChI=1S/C23H24N2O/c1-2-25-21-10-4-3-9-19(21)20(23(25)26)15-16-13-17-7-5-11-24-12-6-8-18(14-16)22(17)24/h3-4,9-10,13-15H,2,5-8,11-12H2,1H3/b20-15-
InChIKeyLVDNRGMMCFUIRN-HKWRFOASSA-N
XLogP4.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-propylindol-3-one
CID 58621787
(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 58795351
5-[(E)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)prop-2-enylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 102246440
2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3H-inden-1-one
CID 54530046
(2Z,5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one
CID 154554074
(5Z)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-methyl-3-propylimidazol-4-one
CID 158513177
3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-ethylindol-2-one
CID 91046180
(3Z)-1-ethyl-3-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]indol-2-one
CID 126126889
5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 20627405
(3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one
CID 58795373
1-ethyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylidene]indol-2-one
CID 951638
(3Z)-3-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one
CID 126122400

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one?
The IUPAC name of (3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one (CID 58795409) is (3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one.
What is the SMILES notation for (3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one?
The canonical SMILES for (3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one is CCN1C(=O)/C(=C\c2cc3c4c(c2)CCCN4CCC3)c2ccccc21.
What is the InChIKey of (3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one?
The InChIKey is LVDNRGMMCFUIRN-HKWRFOASSA-N. The full InChI is InChI=1S/C23H24N2O/c1-2-25-21-10-4-3-9-19(21)20(23(25)26)15-16-13-17-7-5-11-24-12-6-8-18(14-16)22(17)24/h3-4,9-10,13-15H,2,5-8,11-12H2,1H3/b20-15-.
What are the key properties of (3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one?
(3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one has a molecular weight of 344.46 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-1-ethylindol-2-one is sourced from PubChem (CID 58795409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).